Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28053510 | 0.98 | NAAA (0.38) | ALDH1A1CES2CES1NAAAL3MBTL1 | |
| SCHEMBL10643879 | 0.77 | KMT2A (0.45) | ALDH1A1L3MBTL1LMNAEPHX1HPGD | |
| SCHEMBL28068551 | 0.76 | ALDH1A1 (0.62) | ALDH1A1CES2CES1NAAAL3MBTL1 | |
| SCHEMBL19810344 | 0.75 | ALDH1A1 (0.67) | ALDH1A1CES2CES1 | |
| SCHEMBL6321838 | 0.75 | EPHX1 (0.48) | ALDH1A1L3MBTL1LMNAEPHX1HPGD | |
| SCHEMBL27448436 | 0.75 | CES2 (0.52) | ALDH1A1CES2CES1NAAA | |
| SCHEMBL931010 | 0.74 | L3MBTL1 (0.35) | ALDH1A1L3MBTL1LMNAEPHX1HPGD | |
| SCHEMBL6747026 | 0.74 | LMNA (0.46) | ALDH1A1NAAAL3MBTL1LMNAEPHX1 | |
| SCHEMBL3015078 | 0.74 | LMNA (0.50) | CES2CES1NAAALMNA | |
| SCHEMBL4644416 | 0.74 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1LMNAEPHX1HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105367498-B | Pyrazolo ring -3- formamide analog and its preparation and application | 中国农业大学 | 2019-05-17 | — | — | CN | disclosed |
| CN-105367498-A | Pyrazolo-cyclo-3-carboxamide analog and its preparation method and use | UNIV CHINA AGRICULTURAL | 2016-03-02 | — | — | CN | disclosed |